On Wed, 15 Jun 2016 11:56:31 +0200
Batuhan Kav <bkav13.ku.edu.tr> wrote:
> Dear All,
>
> I simulated a POPC bilayer and now want to calculate the lipid order
> parameters using lipidorder command in AmberTools16.
>
> I give this command
>
> Konsole output
> parm membrane.prmtop
> trajin traj.mdcrd
> lipidorder out orderout z scd ":PA.C115" ":PA.H15R" ":PA.H15S"
> run
>
> to calculate the order parameter for C115 (second from the last of the
> PA tail). cpptraj works without producing any errors, yet it doesn't
> produce any outputs. That is, orderout file is not created.
cpptraj writes information on what it does on stdout. What does it
say? Is suspect your masks may not be balanced i.e. the three masks do
not contain exactly the same number of atoms.
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Received on Wed Jun 15 2016 - 03:30:02 PDT
